SCHEMBL5169067

SCHEMBL5169067

Cc1csc(OCCCC(=O)c2ccc(CCC(C)(N)CO)s2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 2/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PRNP P04156 1/20 0.31
RECQL P46063 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
S1PR4 O95977 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL385213 0.88 S1PR1 (0.41) POLBTDP1S1PR1S1PR3S1PR4
SCHEMBL386977 0.87 S1PR1 (0.45) S1PR1S1PR3S1PR4
SCHEMBL5165110 0.85 TDP1 (0.36) POLBTDP1HPGDS1PR1S1PR3
SCHEMBL5165334 0.85 POLB (0.43) POLBTDP1HPGDLMNAALDH1A1
SCHEMBL5169702 0.84 S1PR1 (0.40) POLBTDP1HPGDS1PR1S1PR3
SCHEMBL5169594 0.83 SMN1; SMN2 (0.43) POLBHPGDLMNAALDH1A1TSHR
SCHEMBL5168691 0.82 PDIA6 (0.37) POLBTDP1HPGDS1PR1S1PR3
SCHEMBL5165561 0.81 S1PR4 (0.41) POLBTDP1HPGDS1PR1S1PR3
SCHEMBL5167475 0.80 MAPT (0.40) POLBTDP1HPGDS1PR1S1PR3
SCHEMBL5167727 0.79 S1PR1 (0.40) POLBTDP1S1PR1S1PR3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A POLB 2838/4885TDP1 3661/4885HPGD 1445/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A POLB 2838/4885TDP1 3661/4885HPGD 1445/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.